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79582-99-3 | 4-Thiazolecarbothioicacid
CAS No: 79582-99-3 Catalog No: AG0051A8 MDL No:
Product Description
Catalog Number:
AG0051A8
Chemical Name:
4-Thiazolecarbothioicacid
CAS Number:
79582-99-3
Molecular Formula:
C4H3NOS2
Molecular Weight:
145.2027
IUPAC Name:
1,3-thiazole-4-carbothioic S-acid
InChI:
InChI=1S/C4H3NOS2/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChI Key:
FHNQFSBZQGCURP-UHFFFAOYSA-N
SMILES:
OC(=S)c1cscn1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.966g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.194g/mol
Monoisotopic Mass:
144.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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